V009-4850 Screening compound: 2-[1-(2,4-dimethoxyphenyl)-N-propylformamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

V009-4850 Screening compound: 2-[1-(2,4-dimethoxyphenyl)-N-propylformamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
V009-4850 Screening compound: 2-[1-(2,4-dimethoxyphenyl)-N-propylformamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4850
2-[1-(2,4-dimethoxyphenyl)-N-propylformamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V009-4850

Molecular Formula

C27H31FN2O5 (C27 H31 FN2 O5)

Compound Name

2-[1-(2,4-dimethoxyphenyl)-N-propylformamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

IUPAC name

2-[1-(24-dimethoxyphenyl)-N-propylformamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

SMILES

CCCN(CC(N(Cc1ccc(C)o1)Cc(cc1)ccc1F)=O)C(c(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C27H31FN2O5/c1-5-14-29(27(32)24-13-12-22(33-3)15-25(24)34-4)18-26(31)30(17-23-11-6-19(2)35-23)16-20-7-9-21(28)10-8-20/h6-13,15H,5,14,16-18H2,1-4H3

InChI Key

PGKHWLUWSWNDGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19735141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.169

Distribution Coefficient, logD

4.169

Water Solubility, LogSw

-4.21

Polar Surface Area

54.549

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V009-4850 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V009-4850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4850?
Check Price and Availability of V009-4850, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V009-4850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4850
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V009-4850 available by request